2,2,3-trimethylpentan-3-ol

C8H18O — CID 23718

IUPAC2,2,3-trimethylpentan-3-ol
SMILESCCC(C)(O)C(C)(C)C
InChIInChI=1S/C8H18O/c1-6-8(5,9)7(2,3)4/h9H,6H2,1-5H3
InChIKeyKLIHWYNSISMOMR-UHFFFAOYSA-N
MW130.23 g/mol
LogP2.19
Rot. Bonds1

About 2,2,3-trimethylpentan-3-ol

2,2,3-trimethylpentan-3-ol (PubChem CID 23718) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is 2,2,3-trimethylpentan-3-ol.

Molecular Properties

Compound Name2,2,3-trimethylpentan-3-ol
PubChem CID23718
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name2,2,3-trimethylpentan-3-ol
SMILESCCC(C)(O)C(C)(C)C
InChIInChI=1S/C8H18O/c1-6-8(5,9)7(2,3)4/h9H,6H2,1-5H3
InChIKeyKLIHWYNSISMOMR-UHFFFAOYSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2,3-trimethylpentan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,4-Trimethyl-3-pentanol
CID 520484
2,4,4-Trimethyl-2-pentanol
CID 94740
3-Ethyl-2-methyl-3-pentanol
CID 136390
2,3,3-Trimethyl-2-butanol
CID 11676
2,3-Dimethylpentan-3-ol
CID 11685
3-Ethyl-2,2-dimethyl-3-pentanol
CID 3351014
3-Isopropyl-2,4-dimethyl-3-pentanol
CID 263675
2,2,3-Trimethylhexan-3-ol
CID 95305
3-(1,1-Dimethylethyl)-2,2,4,4-tetramethyl-3-pentanol
CID 142558
3-Ethyl-2-methyl-2-pentanol
CID 519706
3-Pentanol, 2,2,3,4,4-pentamethyl-
CID 6453655
3-Ethyl-2,4-dimethylpentan-3-ol
CID 231872

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethylpentan-3-ol?
The IUPAC name of 2,2,3-trimethylpentan-3-ol (CID 23718) is 2,2,3-trimethylpentan-3-ol.
What is the SMILES notation for 2,2,3-trimethylpentan-3-ol?
The canonical SMILES for 2,2,3-trimethylpentan-3-ol is CCC(C)(O)C(C)(C)C.
What is the InChIKey of 2,2,3-trimethylpentan-3-ol?
The InChIKey is KLIHWYNSISMOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O/c1-6-8(5,9)7(2,3)4/h9H,6H2,1-5H3.
What are the key properties of 2,2,3-trimethylpentan-3-ol?
2,2,3-trimethylpentan-3-ol has a molecular weight of 130.23 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethylpentan-3-ol is sourced from PubChem (CID 23718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).